Cage-like structure has become an ideal skeleton of energetic compounds due to its high symmetry, high ring tension and dense bulk density, which is a hot spot in the research field of energetic materials. In this paper, the reported cage-like skeleton energetic compounds were reviewed by classifying elementary energetic compounds and metal complex-type energetic compounds. Among them, the elementary energetic compounds of cage-like skeleton are mainly summarized as cubane-like, wurtzitane-like, adamantine-like structures and other systems, typical compounds as octanitrocycloalkane and hexanitrohexaazaisowurtzitane have become the elementary energetic compound with the highest energy level. Metal complex type energetic compounds with cage-like skeletons focus on structures with three-dimensional network cage-like spaces. These compounds form dense network structures by compact arrangement way, and the other components are incorporated into the cage-like structure by wrapping way. It is pointed out that the further research direction of elementary energetic compounds with cage-like skeleton should focus on solving the problems of long preparation routes and high cost, providing a basis for application research. The research on the metal complex-type energetic compounds with cage-like skeletons is still in the initial stage and the limited species have become the major problem, but these compounds are generally simple to prepare, low in cost and higher in energy level, which should be the key direction for the future development of cage-like skeleton energetic compounds.